SCHEMBL7939624

SCHEMBL7939624

COCCOc1cnc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)c(N)n1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.59
GRM4 Q14833 8/20 0.49
PRKCI P41743 2/20 0.47
BACE2 Q9Y5Z0 2/20 0.41
APP P05067 1/20 0.40
CTSD P07339 1/20 0.40
ATR Q13535 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7945000 0.92 BACE1 (0.57) BACE1GRM4PRKCIATR
SCHEMBL7940718 0.88 BACE1 (0.77) BACE1GRM4BACE2APPCTSD
SCHEMBL7944672 0.87 BACE1 (0.46) BACE1GRM4PRKCIBACE2APP
SCHEMBL7943510 0.87 BACE1 (0.78) BACE1GRM4PRKCI
SCHEMBL7935742 0.85 BACE1 (0.57) BACE1GRM4BACE2APPCTSD
SCHEMBL7943419 0.82 BACE1 (0.61) BACE1GRM4PRKCI
SCHEMBL7943413 0.80 BACE1 (0.50) BACE1GRM4PRKCIATR
SCHEMBL7935760 0.80 BACE1 (0.50) BACE1GRM4PRKCIBACE2APP
SCHEMBL7940587 0.80 BACE1 (0.77) BACE1PRKCIBACE2
SCHEMBL12301775 0.80 BACE1 (0.65) BACE1GRM4PRKCIBACE2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
EP-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 BACE1 1/4885GRM4 2438/4885PRKCI 2747/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.